| SpectraBase Spectrum ID |
1PgxJsvB3Nb |
| Name |
Benzoic acid, 2-hydroxy-3,6-dimethyl-4-(phenylmethoxy)-, 3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl ester |
| CAS Registry Number |
111258-35-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H26O7 |
| InChI |
InChI=1S/C26H26O7/c1-14-11-19(32-13-18-9-7-6-8-10-18)16(3)23(27)22(14)26(30)33-20-12-15(2)21(25(29)31-5)24(28)17(20)4/h6-12,27-28H,13H2,1-5H3 |
| InChIKey |
JZVGITWQIFKKIC-UHFFFAOYSA-N |
| Molecular Weight |
450.487 g/mol |
| SMILES |
Oc1c(c(OC(c2c(c(c(cc2C)OCc2ccccc2)C)O)=O)cc(c1C(=O)OC)C)C |
| SPLASH |
splash10-0006-9000000000-36abb2a6a7e12cc69ff1 |
| Source of Spectrum |
B-40-1588-29 |
| Synonyms |
3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 4-(benzyloxy)-2-hydroxy-3,6-dimethylbenzoate
Methyl 4-(2'-hydroxy-4'-benzyloxy-3',6'-dimethylbenzoyloxy)-2-hydroxy-3,6-dimethylbenzoate
Methyl 4-O-benzyl-4-O-demethylbarbatate |
| Wiley ID |
1387774 |
